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MolNFT v1 · #82024 · protein + DNA

Crystal structure of RNase T in complex with a product ssdna (acc) with one mg in the active site

3V9Z · Ribonuclease T: “Crystal structure of RNase T in complex with a product ssdna (acc) with one mg in the active site”. X-ray diffraction, 2 ligands (MG, CO), 3 pockets (best druggability 0.63). MolNFT v1 #82024 on GenesisL1: 3D…

PDB
3V9Z
Type
protein + DNA
Length
424 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease T; DNA (5'-D(*TP*TP*AP*CP*AP*CP*C)-3')
EC
3.1.13.-
UniProt
P30014
Ligands
MG, CO
Pockets
3 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRibonuclease T (EC 3.1.13.-)protein20942% helix, 24% strandP30014
C, DDNA (5'-D(*TP*TP*AP*CP*AP*CP*C)-3')dna3——

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, C, B, D
  • CO · Cobalt (II) ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14040.630.7837empty
2740.400.7917MG
3740.380.7814empty

Interfaces

5 interfaces between chains.

  • A–B · 1400 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 504 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–D · 500 Ų buried · 10 hydrogen bonds · protein-nucleic
  • B–C · 162 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–D · 161 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 3V9Z · Crystal structure of RNase T in complex with a product ssDNA (ACC) with one Mg in the… · the same entry in another collection · chain A against A, TM-score 1.00
  • P30014 · AlphaFold monomer V2.0 prediction for ribonuclease T (P30014) · a predicted model of the same protein · chain A against A, TM-score 0.97

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